N-[[4-[2,5-bis(chloranyl)phenyl]-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-phenyl-benzamide

Systemtic Name: N-[[4-[2,5-bis(chloranyl)phenyl]-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-phenyl-benzamide Openeye Name: N-[[4-(2,5-dichlorophenyl)-5-(o-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-phenyl-benzamide CAS Name: N-[[4-(2,5-dichlorophenyl)-5-[(2-methylphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-4-phenylbenzamide IUPAC Name: N-[[4-(2,5-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-phenylbenzamide Traditional Name: N-[[4-(2,5-dichlorophenyl)-5-[(2-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]-4-phenyl-benzamide Formula: C30H24Cl2N4OS MolecularWeight: 559.50876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(N2C3=C(C=CC(=C3)Cl)Cl)CNC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2C3=C(C=CC(=C3)Cl)Cl)CNC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H24Cl2N4OS/c1-20-7-5-6-10-24(20)19-38-30-35-34-28(36(30)27-17-25(31)15-16-26(27)32)18-33-29(37)23-13-11-22(12-14-23)21-8-3-2-4-9-21/h2-17H,18-19H2,1H3,(H,33,37)